Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1954 · 215 citations · 2 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureSolid State PhysicsAb Initio MethodsCrystal ChemistryElectronic Band StructureElectronic StructureElectronic Structure Of SolidsMetalsBand TheoryConductivityElectronic Structure AnalysisMetallic ConductivityMetallic ConductorsTight-binding ApproximationTight-binding ModelsTight-binding Theory
Abstract The electronic structure of the metallic borides MB6 is investigated theoretically by the tight-binding approximation. The stability of the crystal lattice is interpreted and it is predicted that if M is a bivalent metal the crystal should be an insulator or photoconductor, but that if M has a valency greater than 2 the crystal should exhibit metallic conductivity. These predictions are consistent with the scanty experimental evidence.
2
Formulas and Numerical Tables for Overlap Integrals
Robert S. Mulliken, Carol A. Rieke, D. Orloff et al. · The Journal of Chemical Physics · 1949 · 950 citations
Natural Sciences, Chemistry, Physics +15